2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide

C17H27N5O3S — CID 90529561

IUPAC2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCc2nc(NC(=O)NC3CCCC3)sc2C1
InChIInChI=1S/C17H27N5O3S/c1-25-9-7-18-15(23)11-22-8-6-13-14(10-22)26-17(20-13)21-16(24)19-12-4-2-3-5-12/h12H,2-11H2,1H3,(H,18,23)(H2,19,20,21,24)
InChIKeyMYNPOIBGLSTLLU-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.33
Rot. Bonds7

About 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide

2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 90529561) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide
PubChem CID90529561
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Name2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCc2nc(NC(=O)NC3CCCC3)sc2C1
InChIInChI=1S/C17H27N5O3S/c1-25-9-7-18-15(23)11-22-8-6-13-14(10-22)26-17(20-13)21-16(24)19-12-4-2-3-5-12/h12H,2-11H2,1H3,(H,18,23)(H2,19,20,21,24)
InChIKeyMYNPOIBGLSTLLU-UHFFFAOYSA-N
XLogP1.33
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-propylacetamide
CID 90529556
N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529559
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide
CID 90529497
N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532198
N-(3-chlorophenyl)-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529505
1-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287
methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate
CID 90529584
1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529575
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90529523
N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531346
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(3-nitrophenyl)acetamide
CID 90529527
1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529572

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide (CID 90529561) is 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCc2nc(NC(=O)NC3CCCC3)sc2C1.
What is the InChIKey of 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is MYNPOIBGLSTLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-25-9-7-18-15(23)11-22-8-6-13-14(10-22)26-17(20-13)21-16(24)19-12-4-2-3-5-12/h12H,2-11H2,1H3,(H,18,23)(H2,19,20,21,24).
What are the key properties of 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide?
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 90529561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).